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KB-R7785

CAT: 0013-GTR19209707-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209707-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KB-R7785 is a novel small molecule inhibitor targeting ADAM12 and MMPs. It improves cardiac function in TAC models by blocking HB-EGF shedding and enhances insulin sensitivity via suppression of TNF-α, making it a useful research tool for studying heart failure and diabetes-related pathways.
CAS Number
168158-16-5
Field of Research
Protein Biochemistry
Smiles
[C@@H] (NC ([C@@H] ([C@@H] (C (NO) =O) C) CC (C) C) =O) (C (NC) =O) C1=CC=CC=C1
Molecular Formula
C18H27N3O4
Molecular Weight
349.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2s,3r)-n1-hydroxy-2-methyl-n4-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-3-(2-methylpropyl)butanediamide
CAS Number168158-16-5
PubChem CID9928325
IUPAC Name(2S,3R)-N-hydroxy-2-methyl-N'-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-3-(2-methylpropyl)butanediamide
Molecular FormulaC18H27N3O4
Molecular Weight349.4
XLogP1.6
Topological Polar Surface Area108
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity461
SMILES
C[C@@H]([C@@H](CC(C)C)C(=O)N[C@@H](C1=CC=CC=C1)C(=O)NC)C(=O)NO
InChI
InChI=1S/C18H27N3O4/c1-11(2)10-14(12(3)16(22)21-25)17(23)20-15(18(24)19-4)13-8-6-5-7-9-13/h5-9,11-12,14-15,25H,10H2,1-4H3,(H,19,24)(H,20,23)(H,21,22)/t12-,14+,15-/m0/s1
InChIKey
OFCWIPGKPUJTDP-CFVMTHIKSA-N
Chemical Structure
2D Structure
2D structure of (2s,3r)-n1-hydroxy-2-methyl-n4-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-3-(2-methylpropyl)butanediamide
CAS: 168158-16-5
CID: 9928325
Formula: C18H27N3O4
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass349.20015635
Monoisotopic Mass349.20015635
Topological Polar Surface Area108 Ų
Heavy Atom Count25
Formal Charge0
Complexity461
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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